input word = C00012688

Metabolite InformationStructural formula
Name Isobrasudol
[2S-(2alpha,4abeta,5beta,8aalpha)]-5-Bromodecahydro-4a-methyl-8-methylene-2-(1-methylethyl)-2-naphthalenol
Formula C15H25BrO
Mw 300.10887832
CAS RN 72154-34-8
C_ID C00012688 ,
InChIKey QQZXBIKGXNPCLZ-NXANOWHXNA-N
InChICode InChI=1S/C15H25BrO/c1-10(2)15(17)8-7-14(4)12(9-15)11(3)5-6-13(14)16/h10,12-13,17H,3,5-9H2,1-2,4H3/t12-,13+,14+,15-/m0/s1
SMILES [C@H]1(CCC(=C)[C@H]2[C@]1(CC[C@](C2)(C(C)C)O)C)Br
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaAplysiidaeAplysia brasiliana Ref.
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